UCSF

ZINC32138999

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 24 Yes

Popular Name: 3-cyclohexyl-2-(2-pyridyl)-1H-indole-6-carboxylic 3-cyclohexyl-2-(2-pyridyl)-1H-in…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.39 10.93 -52.8 1 4 -1 69 319.384 3 ↓
Lo Low (pH 4.5-6) 4.33 10.68 -48.83 1 4 0 67 320.392 3 ↓
Lo Low (pH 4.5-6) 4.33 10.68 -48.9 1 4 0 67 320.392 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8JXU8-2-V Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #2 Of 2), Viral Viruses 230 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8JXU8_9HEPC Q8JXU8 Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc 230 0.39 Binding ≤ 1μM
Q8JXU8_9HEPC Q8JXU8 Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc 230 0.39 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )